4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine

C11H20N4O4S2 — CID 102882361

IUPAC4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine
SMILESCCCn1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C)c(N)n1
InChIInChI=1S/C11H20N4O4S2/c1-3-4-14-7-10(11(12)13-14)21(18,19)15-5-6-20(16,17)8-9(15)2/h7,9H,3-6,8H2,1-2H3,(H2,12,13)
InChIKeyUFFDUUNSAXTVGG-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.32
Rot. Bonds4

About 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine

4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine (PubChem CID 102882361) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine.

Molecular Properties

Compound Name4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine
PubChem CID102882361
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine
SMILESCCCn1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C)c(N)n1
InChIInChI=1S/C11H20N4O4S2/c1-3-4-14-7-10(11(12)13-14)21(18,19)15-5-6-20(16,17)8-9(15)2/h7,9H,3-6,8H2,1-2H3,(H2,12,13)
InChIKeyUFFDUUNSAXTVGG-UHFFFAOYSA-N
XLogP-0.32
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine
CID 63604730
1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 60814183
3-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1-propylpyrazole-4-sulfonamide
CID 60814704
4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine
CID 60809609
5-bromo-2-methyl-3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882366
3-amino-N-(1-methylpyrrolidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61462052
5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882388
[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
CID 102883116
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301
4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885531
3-amino-N-(2-methyloxolan-3-yl)-1-propylpyrazole-4-sulfonamide
CID 82725524

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine?
The IUPAC name of 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine (CID 102882361) is 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine.
What is the SMILES notation for 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine?
The canonical SMILES for 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine is CCCn1cc(S(=O)(=O)N2CCS(=O)(=O)CC2C)c(N)n1.
What is the InChIKey of 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine?
The InChIKey is UFFDUUNSAXTVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-3-4-14-7-10(11(12)13-14)21(18,19)15-5-6-20(16,17)8-9(15)2/h7,9H,3-6,8H2,1-2H3,(H2,12,13).
What are the key properties of 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine?
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine has a molecular weight of 336.44 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine is sourced from PubChem (CID 102882361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).